SCHEMBL16682155

SCHEMBL16682155

N#Cc1cccnc1-c1cccc(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
PRKCI P41743 1/20 0.47
CNR2 P34972 1/20 0.44
MAP2K4 P45985 2/20 0.43
CHEK1 O14757 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
BRAF P15056 1/20 0.40
HDAC1 Q13547 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17116598 0.81 CNR2 (0.47) CNR2HDAC1CYP11B1CYP11B2TRPV1
SCHEMBL931989 0.77 PRKCI (0.51) PRKCIMAP2K4CHRNB4CHRNA3CHRNA7
SCHEMBL17116730 0.77 CLK4 (0.47) CNR2HDAC1TRPV1KCNN4KCNA5
SCHEMBL3290050 0.77 ADORA2B (0.48) CHUKCNR2HDAC1CYP11B2
SCHEMBL7239551 0.77 MAP4K4 (0.50) CNR2HDAC1TRPV1
SCHEMBL16675761 0.77 PRKCI (0.47) IKBKBCHUKPRKCICHEK1CHRNB4
SCHEMBL29768457 0.76 HDAC1 (0.51) CNR2HDAC1TRPV1LRRK2
SCHEMBL1146096 0.76 HDAC1 (0.51) CNR2HDAC1TRPV1LRRK2
SCHEMBL17116398 0.75 KDM4E (0.44) CNR2HDAC1TRPV1KCNN4KCNA5
SCHEMBL14864596 0.74 TRPV1 (0.48) HDAC1CYP11B1CYP11B2TRPV1FGFR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855489-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-01-04 EP disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 IKBKB 1425/4885CHUK 357/4885PRKCI 3236/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.